Information card for entry 1551807

Structure parameters

• Formula: C20 H22 N4
• Calculated formula: C20 H22 N4
• SMILES: C(N[C@H](C#N)c1ccccc1)CCCN[C@@H](C#N)c1ccccc1
• Title of publication: Crystal Structure of N,N-Buthylene-bis(2-phenyl)glycinonitrile
• Authors of publication: GOLCHOUBIAN, Hamid; EBRAHIMZADEH, Zeinab
• Journal of publication: X-ray Structure Analysis Online
• Year of publication: 2009
• Journal volume: 25
• Pages of publication: 59
• a: 8.4879 ± 0.0006 Å
• b: 13.9842 ± 0.001 Å
• c: 7.316 ± 0.0005 Å
• α: 90°
• β: 96.366 ± 0.001°
• γ: 90°
• Cell volume: 863.03 ± 0.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0699
• Residual factor for significantly intense reflections: 0.0577
• Weighted residual factors for significantly intense reflections: 0.1568
• Weighted residual factors for all reflections included in the refinement: 0.1699
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No